N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide

C13H11ClN4O2S2 — CID 86675656

IUPACN-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3c(N)nc(Cl)nc23)c1
InChIInChI=1S/C13H11ClN4O2S2/c1-22(19,20)18-8-4-2-3-7(5-8)9-6-21-11-10(9)16-13(14)17-12(11)15/h2-6,18H,1H3,(H2,15,16,17)
InChIKeySFPCHPJDEZCYLL-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.97
Rot. Bonds3

About N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide

N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide (PubChem CID 86675656) has the molecular formula C13H11ClN4O2S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
PubChem CID86675656
Molecular FormulaC13H11ClN4O2S2
Molecular Weight354.84 g/mol
Exact Mass354.00
IUPAC NameN-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3c(N)nc(Cl)nc23)c1
InChIInChI=1S/C13H11ClN4O2S2/c1-22(19,20)18-8-4-2-3-7(5-8)9-6-21-11-10(9)16-13(14)17-12(11)15/h2-6,18H,1H3,(H2,15,16,17)
InChIKeySFPCHPJDEZCYLL-UHFFFAOYSA-N
XLogP2.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide
CID 44528665
2-Chloro-7-phenyl-4-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228432
4-[4-[3-(dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]-N,N-dimethyl-benzenesulfonamide
CID 76314358
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325261
N-[4-[4-[3-(dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 76336117
N-[3-(2-anilinothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
CID 164623877
N-[3-[2-(cyclohexylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 164625843
N-[3-[2-[4-(dimethylamino)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 164627314
N-[3-[2-(4-piperidin-1-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 164628124
N-(3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl)methanesulfonamide
CID 67120132
N-[2-(4-amino-[1]benzothiolo[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
CID 70812863
N-[4-(4-amino-[1]benzothiolo[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
CID 70812942

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide (CID 86675656) is N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc3c(N)nc(Cl)nc23)c1.
What is the InChIKey of N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The InChIKey is SFPCHPJDEZCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S2/c1-22(19,20)18-8-4-2-3-7(5-8)9-6-21-11-10(9)16-13(14)17-12(11)15/h2-6,18H,1H3,(H2,15,16,17).
What are the key properties of N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 86675656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).